[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxidanylidene-ethyl]-methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: [2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxidanylidene-ethyl]-methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: [2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxo-ethyl]-methyl-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]ammonium CAS Name: [2-(4-ethoxycarbonyl-1-piperazinyl)-2-oxoethyl]-methyl-[2-[2-(methylthio)anilino]-2-oxoethyl]ammonium IUPAC Name: [2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl]-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium Traditional Name: [2-(4-carbethoxypiperazino)-2-keto-ethyl]-[2-keto-2-[2-(methylthio)anilino]ethyl]-methyl-ammonium Formula: C19H29N4O4S+ MolecularWeight: 409.52296

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C[NH+](C)CC(=O)NC2=CC=CC=C2SC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C[NH+](C)CC(=O)NC2=CC=CC=C2SC

InChI

InChI=1S/C19H28N4O4S/c1-4-27-19(26)23-11-9-22(10-12-23)18(25)14-21(2)13-17(24)20-15-7-5-6-8-16(15)28-3/h5-8H,4,9-14H2,1-3H3,(H,20,24)/p+1